General Information of the Compound
| Compound ID |
CP0888475
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| Compound Name |
(3R,6R,7aS)-6-amino-6-ethyl-5-oxohexahydropyrrolo[2,1-b]thiazole-3-carbonitrile hydrochloride
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| Structure |
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| Formula |
C9H14ClN3OS
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| Molecular Weight |
247.751
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| Canonical SMILES |
CC[C@@]1(N)C[C@@H]2SC[C@@H](C#N)N2C1=O.Cl
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| InChI |
InChI=1S/C9H13N3OS.ClH/c1-2-9(11)3-7-12(8(9)13)6(4-10)5-14-7;/h6-7H,2-3,5,11H2,1H3;1H/t6-,7+,9-;/m1./s1
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| InChIKey |
ZQQFPPKMYZHMHI-GJRYXAKSSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound